3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide

C12H19N3O3S — CID 119316352

IUPAC3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)CCN)c1
InChIInChI=1S/C12H19N3O3S/c1-9(15-12(16)6-7-13)10-4-3-5-11(8-10)19(17,18)14-2/h3-5,8-9,14H,6-7,13H2,1-2H3,(H,15,16)
InChIKeyAIJVWDNPRZGKGD-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.12
Rot. Bonds6

About 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide

3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide (PubChem CID 119316352) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
PubChem CID119316352
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide
SMILESCNS(=O)(=O)c1cccc(C(C)NC(=O)CCN)c1
InChIInChI=1S/C12H19N3O3S/c1-9(15-12(16)6-7-13)10-4-3-5-11(8-10)19(17,18)14-2/h3-5,8-9,14H,6-7,13H2,1-2H3,(H,15,16)
InChIKeyAIJVWDNPRZGKGD-UHFFFAOYSA-N
XLogP0.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119771237
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951139
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
4-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoylamino]butanoic acid
CID 122000391
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pentanamide;hydrochloride
CID 119771247
methyl (2S)-2-[[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615830
methyl (2R)-2-[[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]amino]propanoate
CID 124615833
N-[(1R)-1-[3-(methylsulfamoyl)phenyl]ethyl]azetidine-1-carboxamide
CID 95189601
1-(2-methoxyethyl)-3-[(1S)-1-[3-(methylsulfamoyl)phenyl]ethyl]urea
CID 95186671
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide (CID 119316352) is 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide is CNS(=O)(=O)c1cccc(C(C)NC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide?
The InChIKey is AIJVWDNPRZGKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(15-12(16)6-7-13)10-4-3-5-11(8-10)19(17,18)14-2/h3-5,8-9,14H,6-7,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide?
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 119316352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).